Structure of PDB 2by1 Chain A Binding Site BS03

Receptor Information
>2by1 Chain A (length=580) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFQTQHDPRTRLGATPLPGGAGTRFRLWTSTARTVAVRVNGTEHVMTSLG
GGIYELELPVGPGARYLFVLDGVPTPDPYARFLPDGVHGEAEVVDFGTFD
WTDADWHGIKLADCVFYEVHVGTFTPEGTYRAAAEKLPYLKELGVTAIQV
MPLAAFDGQRGWGYDGAAFYAPYAPYGRPEDLMALVDAAHRLGLGVFLDV
VYNHFGPSGNYLSSYAPSYFTDRFSSAWGMGLDYAEPHMRRYVTGNARMW
LRDYHFDGLRLDATPYMTDDSETHILTELAQEIHELGGTHLLLAEDHRNL
PDLVTVNHLDGIWTDDFHHETRVTLTGEQEGYYAGYRGGAEALAYTIRRG
WRYEGQFWAVKGEEHERGHPSDALEAPNFVYCIQNHDQIGNRPLGERLHQ
SDGVTLHEYRGAAALLLTLPMTPLLFQGQEWAASTPFQFFSDHAGELGQA
VSEGRKKEFDVPDPQAEQTFLNSKLNWAEREGGEHARTLRLYRDLLRLRR
EDPVLHNRQRENLTTGHDGDVLWVRTVTGAGERVLLWNLGQDTRAVAEVK
LPFTVPRRLLLHTEGREDLTLGAGEAVLVG
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain2by1 Chain A Residue 1605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2by1 Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Resolution1.55 Å
Binding residue
(original residue number in PDB)		H310 E376
Binding residue
(residue number reindexed from 1)		H297 E363
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) L156 G157 T159 G179
Catalytic site (residue number reindexed from 1) L143 G144 T146 G166
Enzyme Commision number 3.2.1.141: 4-alpha-D-{(1->4)-alpha-D-glucano}trehalose trehalohydrolase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005992 trehalose biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2by1, PDBe:2by1, PDBj:2by1
PDBsum2by1
PubMed16421442
UniProtQ9RX51|TREZ_DEIRA Malto-oligosyltrehalose trehalohydrolase (Gene Name=treZ)

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